2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid

C17H21NO2 — CID 65072356

IUPAC2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
SMILESCC(CN(C)C(C)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)11-18(3)13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,12-13H,11H2,1-3H3,(H,19,20)
InChIKeyMWLXTSANWTWRIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.55
Rot. Bonds5

About 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid

2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid (PubChem CID 65072356) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
PubChem CID65072356
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
SMILESCC(CN(C)C(C)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)11-18(3)13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,12-13H,11H2,1-3H3,(H,19,20)
InChIKeyMWLXTSANWTWRIB-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
3-[1-(4-fluoro-3-methylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 110838634
2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119228669
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
CID 79263498
(1R,2R,3S)-1-[4-(hydroxymethyl)phenyl]-2-methyl-4-[methyl-[(1R)-1-naphthalen-2-ylethyl]amino]butane-1,3-diol
CID 6666847
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid (CID 65072356) is 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid is CC(CN(C)C(C)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid?
The InChIKey is MWLXTSANWTWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(17(19)20)11-18(3)13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,12-13H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid?
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid is sourced from PubChem (CID 65072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).